tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate

C15H22N2O3 — CID 117446472

IUPACtert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C2CCNC2)ccc1O
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-12-8-10(4-5-13(12)18)11-6-7-16-9-11/h4-5,8,11,16,18H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyCIZPFCSXOJWKRR-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.82
Rot. Bonds2

About tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate

tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate (PubChem CID 117446472) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate
PubChem CID117446472
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nametert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C2CCNC2)ccc1O
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-12-8-10(4-5-13(12)18)11-6-7-16-9-11/h4-5,8,11,16,18H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyCIZPFCSXOJWKRR-UHFFFAOYSA-N
XLogP2.82
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate
CID 83902120
tert-butyl N-(2,3-difluoro-5-piperidin-4-ylphenyl)carbamate
CID 117116565
tert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate
CID 117116356
tert-butyl N-[5-[(1S,3S)-3-(aminomethyl)-2,2-dimethylcyclopropyl]-2-hydroxyphenyl]carbamate
CID 178195072
tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate
CID 107239688
tert-butyl N-[5-(1-aminocyclopentyl)-2-hydroxyphenyl]carbamate
CID 117472222
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(2-piperidin-3-yl-4-pyridinyl)carbamate
CID 132550440
2-[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoacetic acid
CID 117451247
2-bromo-4-pyrrolidin-3-ylphenol
CID 82622109
tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate
CID 107240213
tert-butyl 8-pyrrolidin-3-yl-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
CID 131866227

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate (CID 117446472) is tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate is CC(C)(C)OC(=O)Nc1cc(C2CCNC2)ccc1O.
What is the InChIKey of tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate?
The InChIKey is CIZPFCSXOJWKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(19)17-12-8-10(4-5-13(12)18)11-6-7-16-9-11/h4-5,8,11,16,18H,6-7,9H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate?
tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate has a molecular weight of 278.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxy-5-pyrrolidin-3-ylphenyl)carbamate is sourced from PubChem (CID 117446472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).